Rhytidchromone A

Details

• Internal ID: a492d9f2-019a-4912-8a7f-6a26a49bbe01
• Taxonomy: Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Chromones
• IUPAC Name: 5-hydroxy-7-methoxy-8-[(2S,4R)-4-methoxy-5-oxooxolan-2-yl]-2-methylchromen-4-one
• InChI: InChI=1S/C16H16O7/c1-7-4-8(17)13-9(18)5-10(20-2)14(15(13)22-7)11-6-12(21-3)16(19)23-11/h4-5,11-12,18H,6H2,1-3H3/t11-,12+/m0/s1
• InChI Key: DHBFFEWSTQJNAJ-NWDGAFQWSA-N
• Popularity: 3 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₆H₁₆O₇
• Molecular Weight: 320.29 g/mol
• Exact Mass: 320.08960285 g/mol
• Topological Polar Surface Area (TPSA): 91.30 Ų
• XlogP: 1.90

Synonyms

• CHEMBL4468104

2D Structure

ADMET Properties (via admetSAR 2)

Target	Value	Probability (raw)	Probability (%)
No predicted properties yet!

Targets

Proven Targets:

No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	96.13%	91.11%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	93.75%	94.00%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	93.47%	95.56%
CHEMBL241	Q14432	Phosphodiesterase 3A	91.14%	92.94%
CHEMBL1806	P11388	DNA topoisomerase II alpha	90.93%	89.00%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	90.84%	85.14%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	87.61%	99.23%
CHEMBL1293249	Q13887	Kruppel-like factor 5	84.49%	86.33%
CHEMBL3401	O75469	Pregnane X receptor	83.76%	94.73%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	83.01%	94.45%
CHEMBL3192	Q9BY41	Histone deacetylase 8	82.81%	93.99%
CHEMBL340	P08684	Cytochrome P450 3A4	82.33%	91.19%
CHEMBL3137262	O60341	LSD1/CoREST complex	80.66%	97.09%
CHEMBL3194	P02766	Transthyretin	80.59%	90.71%
CHEMBL2535	P11166	Glucose transporter	80.34%	98.75%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 132578875
• LOTUS: LTS0085847
• wikiData: Q77515089